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Crystal structure of flavin-containing putative monooxygenase (NP_373108.1) from staphylococcus aureus MU50 at 2.40 a resolution

Analyse Crystal structure of flavin-containing putative monooxygenase (NP_373108.1)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3D1C
Type
protein
Length
358 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Flavin-containing putative monooxygenase
UniProt
Q99R54
Ligands
FAD, UNL, SO4
Pockets
3 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFlavin-containing putative monooxygenaseprotein35830% helix, 22% strandQ99R54

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • UNL · Unknown ligand · ligand · chains A
  • SO4 · Sulfate ion · ion · 4 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17230.790.8364FAD, UNL
2680.300.7416empty
3530.280.7511empty

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 3D1C · Crystal structure of Flavin-containing Putative Monooxygenase (NP_373108.1) from… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q99R54 · AlphaFold monomer V2.0 prediction for putative flavoprotein monooxygenase (Q99R54) · a predicted model of the same protein · chain A against A, TM-score 0.99

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